[Ifeffit] sulfur XAS for Li2SO3
Hi all, I am wondering if anyone has sulfur XAS for Li2SO3. Data/help is much appreciated and relevant reference will be cited. Thank you. Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
[Ifeffit] iodine L-edge spectra
Hi, Does anybody happen to have the iodine element L-edge spectra (L1 preferred, but L2 and L3 are also okay) and is willing to share? thanks! Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
Re: [Ifeffit] Ifeffit Digest, Vol 189, Issue 16
Thank you very much for the data, professor Frenkel. You can send your student's name to my email. We will acknowledge him/her for the data. Enyuan On Sat, Nov 24, 2018 at 11:29 AM wrote: > Send Ifeffit mailing list submissions to > ifeffit@millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-requ...@millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-ow...@millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > >1. TiO2 XAS spectrum (Enyuan Hu) >2. Re: TiO2 XAS spectrum (Anatoly Frenkel) > > > ---------- > > Message: 1 > Date: Fri, 23 Nov 2018 22:06:50 -0500 > From: Enyuan Hu > To: ifeffit > Subject: [Ifeffit] TiO2 XAS spectrum > Message-ID: > < > cajud35modfhlutdpbrfo2npxrdxeg5yvxfuk+jpoxz64cgq...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Hi all, > > Can anyone share an XAS spectrum of TiO2? it would be best if a Ti foil > spectrum is also included for calibration. Your help is much appreciated! > > Enyuan > -- next part -- > An HTML attachment was scrubbed... > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20181123/d1b25573/attachment-0001.html > > > > -- > > Message: 2 > Date: Sat, 24 Nov 2018 11:25:38 -0500 > From: Anatoly Frenkel > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] TiO2 XAS spectrum > Message-ID: > 409asztdsznzn0yxer...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Enyuan, > > Here are the rutile and anatase spectra with the corresponding Ti foil > spectrum. > I will send you the name of a student who collected the spectra for > acknowledgement when you need it. > > Anatoly Frenkel > > > On Fri, Nov 23, 2018 at 10:08 PM Enyuan Hu wrote: > > > Hi all, > > > > Can anyone share an XAS spectrum of TiO2? it would be best if a Ti foil > > spectrum is also included for calibration. Your help is much appreciated! > > > > Enyuan > > ___ > > Ifeffit mailing list > > Ifeffit@millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > > > -- next part -- > An HTML attachment was scrubbed... > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20181124/f0477cbf/attachment.html > > > -- next part -- > A non-text attachment was scrubbed... > Name: Ti compounds.prj > Type: application/octet-stream > Size: 43943 bytes > Desc: not available > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20181124/f0477cbf/attachment.obj > > > > -- > > Subject: Digest Footer > > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > > > -- > > End of Ifeffit Digest, Vol 189, Issue 16 > > ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
[Ifeffit] TiO2 XAS spectrum
Hi all, Can anyone share an XAS spectrum of TiO2? it would be best if a Ti foil spectrum is also included for calibration. Your help is much appreciated! Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
Re: [Ifeffit] Ifeffit Digest, Vol 154, Issue 5
Dear all, Thank you all for the kind help. I didn't know CuO is so useful in the sense that asking for its spectrum would reveal the abundant kindness in this community :) Enyuan On Wed, Dec 2, 2015 at 10:26 PM, wrote: > Send Ifeffit mailing list submissions to > ifeffit@millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-requ...@millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-ow...@millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > >1. Re: Ifeffit Digest, Vol 154, Issue 1 (Soma Chattopadhyay) > > > -- > > Message: 1 > Date: Wed, 2 Dec 2015 20:14:04 -0600 > From: Soma Chattopadhyay > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] Ifeffit Digest, Vol 154, Issue 1 > Message-ID: > sgerd30...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Hi Enyuan > Attached is my athena project file with Cu foil, CuO and Cu2O data in > athena. > They have references foils with them. > best > Soma > > On Wed, Dec 2, 2015 at 7:38 PM, Enyuan Hu wrote: > > > Dear Matt, > > > > I'm sorry to be persistent but I noticed that the reference spectrum (Cu > > foil I assume) for these two CuO data doesn't seem to correct. I conclude > > this after I made comparison using the Cu foil data from the database and > > my own previous measurement. If it's not bothering you, can you help me > > look into that? Thanks. > > > > Enyuan > > > > On Wed, Dec 2, 2015 at 8:08 PM, Enyuan Hu wrote: > > > >> Dear Riti and Matt, > >> > >> Thank you two very much for the timely help. I didn't even know the > >> existence of these two libraries. Thanks again for letting me know such > a > >> valuable resource. > >> > >> regards, > >> Enyuan > >> > >> On Wed, Dec 2, 2015 at 7:40 PM, < > >> ifeffit-requ...@millenia.cars.aps.anl.gov> wrote: > >> > >>> Send Ifeffit mailing list submissions to > >>> ifeffit@millenia.cars.aps.anl.gov > >>> > >>> To subscribe or unsubscribe via the World Wide Web, visit > >>> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > >>> or, via email, send a message with subject or body 'help' to > >>> ifeffit-requ...@millenia.cars.aps.anl.gov > >>> > >>> You can reach the person managing the list at > >>> ifeffit-ow...@millenia.cars.aps.anl.gov > >>> > >>> When replying, please edit your Subject line so it is more specific > >>> than "Re: Contents of Ifeffit digest..." > >>> > >>> > >>> Today's Topics: > >>> > >>>1. CuO XAS spectrum (Enyuan Hu) > >>>2. Re: CuO XAS spectrum (Ritimukta Sarangi) > >>>3. Re: CuO XAS spectrum (Matthew Marcus) > >>>4. Fwd: Most probably a bug or something. (pushkar shejwalkar) > >>> > >>> > >>> -- > >>> > >>> Message: 1 > >>> Date: Wed, 2 Dec 2015 18:32:11 -0500 > >>> From: Enyuan Hu > >>> To: ifeffit > >>> Subject: [Ifeffit] CuO XAS spectrum > >>> Message-ID: > >>> < > >>> cajud35mbtedohtgon3yfjgj3squ+l5lcvpp1unm0tf4vwpw...@mail.gmail.com> > >>> Content-Type: text/plain; charset="utf-8" > >>> > >>> Dear all, > >>> > >>> I'm analyzing some Cu compounds spectra and was wondering if anyone has > >>> the > >>> CuO XAS spectrum and is willing to share. Thanks. > >>> > >>> best regards, > >>> Enyuan > >>> -- next part -- > >>> An HTML attachment was scrubbed... > >>> URL: < > >>> > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20151202/2e9ace53/attachment-0001.htm > >>> > > >>> > >>> -- > >>> > >>> Message: 2 > &
Re: [Ifeffit] Ifeffit Digest, Vol 154, Issue 1
Dear Matt, I'm sorry to be persistent but I noticed that the reference spectrum (Cu foil I assume) for these two CuO data doesn't seem to correct. I conclude this after I made comparison using the Cu foil data from the database and my own previous measurement. If it's not bothering you, can you help me look into that? Thanks. Enyuan On Wed, Dec 2, 2015 at 8:08 PM, Enyuan Hu wrote: > Dear Riti and Matt, > > Thank you two very much for the timely help. I didn't even know the > existence of these two libraries. Thanks again for letting me know such a > valuable resource. > > regards, > Enyuan > > On Wed, Dec 2, 2015 at 7:40 PM, > wrote: > >> Send Ifeffit mailing list submissions to >> ifeffit@millenia.cars.aps.anl.gov >> >> To subscribe or unsubscribe via the World Wide Web, visit >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> or, via email, send a message with subject or body 'help' to >> ifeffit-requ...@millenia.cars.aps.anl.gov >> >> You can reach the person managing the list at >> ifeffit-ow...@millenia.cars.aps.anl.gov >> >> When replying, please edit your Subject line so it is more specific >> than "Re: Contents of Ifeffit digest..." >> >> >> Today's Topics: >> >>1. CuO XAS spectrum (Enyuan Hu) >>2. Re: CuO XAS spectrum (Ritimukta Sarangi) >>3. Re: CuO XAS spectrum (Matthew Marcus) >>4. Fwd: Most probably a bug or something. (pushkar shejwalkar) >> >> >> -- >> >> Message: 1 >> Date: Wed, 2 Dec 2015 18:32:11 -0500 >> From: Enyuan Hu >> To: ifeffit >> Subject: [Ifeffit] CuO XAS spectrum >> Message-ID: >> < >> cajud35mbtedohtgon3yfjgj3squ+l5lcvpp1unm0tf4vwpw...@mail.gmail.com> >> Content-Type: text/plain; charset="utf-8" >> >> Dear all, >> >> I'm analyzing some Cu compounds spectra and was wondering if anyone has >> the >> CuO XAS spectrum and is willing to share. Thanks. >> >> best regards, >> Enyuan >> -- next part -- >> An HTML attachment was scrubbed... >> URL: < >> http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20151202/2e9ace53/attachment-0001.htm >> > >> >> -- >> >> Message: 2 >> Date: Wed, 2 Dec 2015 15:40:27 -0800 >> From: Ritimukta Sarangi >> To: XAFS Analysis using Ifeffit >> Subject: Re: [Ifeffit] CuO XAS spectrum >> Message-ID: >> Content-Type: text/plain; charset="us-ascii" >> >> Have you tried the Farrel Lytle Database? >> -Riti >> >> On Dec 2, 2015, at 3:32 PM, Enyuan Hu wrote: >> >> > Dear all, >> > >> > I'm analyzing some Cu compounds spectra and was wondering if anyone has >> the CuO XAS spectrum and is willing to share. Thanks. >> > >> > best regards, >> > Enyuan >> > ___ >> > Ifeffit mailing list >> > Ifeffit@millenia.cars.aps.anl.gov >> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit >> >> -- next part -- >> An HTML attachment was scrubbed... >> URL: < >> http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20151202/3f0641a8/attachment-0001.htm >> > >> >> -- >> >> Message: 3 >> Date: Wed, 2 Dec 2015 15:43:26 -0800 >> From: Matthew Marcus >> To: XAFS Analysis using Ifeffit >> Subject: Re: [Ifeffit] CuO XAS spectrum >> Message-ID: <565f821e.3030...@lbl.gov> >> Content-Type: text/plain; charset=windows-1252; format=flowed >> >> There are two spectra (transmission, probably) in the XAFS Model Compound >> Library http://cars9.uchicago.edu/cgi-bin/newville/Model-Search.cgi . >> mam >> >> On 12/2/2015 3:32 PM, Enyuan Hu wrote: >> > Dear all, >> > >> > I'm analyzing some Cu compounds spectra and was wondering if anyone has >> the CuO XAS spectrum and is willing to share. Thanks. >> > >> > best regards, >> > Enyuan >> > >> > >> > ___ >> > Ifeffit mailing list >> > Ifeffit@millenia.cars.aps.anl.gov >> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> > Un
Re: [Ifeffit] Ifeffit Digest, Vol 154, Issue 1
Dear Riti and Matt, Thank you two very much for the timely help. I didn't even know the existence of these two libraries. Thanks again for letting me know such a valuable resource. regards, Enyuan On Wed, Dec 2, 2015 at 7:40 PM, wrote: > Send Ifeffit mailing list submissions to > ifeffit@millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-requ...@millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-ow...@millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > >1. CuO XAS spectrum (Enyuan Hu) >2. Re: CuO XAS spectrum (Ritimukta Sarangi) >3. Re: CuO XAS spectrum (Matthew Marcus) >4. Fwd: Most probably a bug or something. (pushkar shejwalkar) > > > ---------- > > Message: 1 > Date: Wed, 2 Dec 2015 18:32:11 -0500 > From: Enyuan Hu > To: ifeffit > Subject: [Ifeffit] CuO XAS spectrum > Message-ID: > < > cajud35mbtedohtgon3yfjgj3squ+l5lcvpp1unm0tf4vwpw...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Dear all, > > I'm analyzing some Cu compounds spectra and was wondering if anyone has the > CuO XAS spectrum and is willing to share. Thanks. > > best regards, > Enyuan > -- next part -- > An HTML attachment was scrubbed... > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20151202/2e9ace53/attachment-0001.htm > > > > -- > > Message: 2 > Date: Wed, 2 Dec 2015 15:40:27 -0800 > From: Ritimukta Sarangi > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] CuO XAS spectrum > Message-ID: > Content-Type: text/plain; charset="us-ascii" > > Have you tried the Farrel Lytle Database? > -Riti > > On Dec 2, 2015, at 3:32 PM, Enyuan Hu wrote: > > > Dear all, > > > > I'm analyzing some Cu compounds spectra and was wondering if anyone has > the CuO XAS spectrum and is willing to share. Thanks. > > > > best regards, > > Enyuan > > ___ > > Ifeffit mailing list > > Ifeffit@millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > > -- next part -- > An HTML attachment was scrubbed... > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20151202/3f0641a8/attachment-0001.htm > > > > -- > > Message: 3 > Date: Wed, 2 Dec 2015 15:43:26 -0800 > From: Matthew Marcus > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] CuO XAS spectrum > Message-ID: <565f821e.3030...@lbl.gov> > Content-Type: text/plain; charset=windows-1252; format=flowed > > There are two spectra (transmission, probably) in the XAFS Model Compound > Library http://cars9.uchicago.edu/cgi-bin/newville/Model-Search.cgi . > mam > > On 12/2/2015 3:32 PM, Enyuan Hu wrote: > > Dear all, > > > > I'm analyzing some Cu compounds spectra and was wondering if anyone has > the CuO XAS spectrum and is willing to share. Thanks. > > > > best regards, > > Enyuan > > > > > > ___ > > Ifeffit mailing list > > Ifeffit@millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > > > > > -- > > Message: 4 > Date: Thu, 3 Dec 2015 09:40:30 +0900 > From: pushkar shejwalkar > To: XAFS Analysis using Ifeffit > Subject: [Ifeffit] Fwd: Most probably a bug or something. > Message-ID: > < > can0zrcgjseaucufpvj0cmwmxcbutvzedqvdmd9tuomhvzoj...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Dear All, >I have sent the following email about 4-5 days before but I havent heard > anything back as yet. I was wondering as to if this is not something to > worry about we can continue to use it? Or did I not posted the question > correctly or to right forum? > Best > Pushkar > -- Forwarded message -- > From: pushkar shejwalkar > Date: Mon, Nov 30, 2015 at 12:2
[Ifeffit] CuO XAS spectrum
Dear all, I'm analyzing some Cu compounds spectra and was wondering if anyone has the CuO XAS spectrum and is willing to share. Thanks. best regards, Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
Re: [Ifeffit] Ifeffit Digest, Vol 117, Issue 21
qu...@millenia.cars.aps.anl.gov > > wrote: > > > Send Ifeffit mailing list submissions to > > ifeffit@millenia.cars.aps.anl.gov > > > > To subscribe or unsubscribe via the World Wide Web, visit > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > or, via email, send a message with subject or body 'help' to > > ifeffit-requ...@millenia.cars.aps.anl.gov > > > > You can reach the person managing the list at > > ifeffit-ow...@millenia.cars.aps.anl.gov > > > > When replying, please edit your Subject line so it is more specific > > than "Re: Contents of Ifeffit digest..." > > > > > > Today's Topics: > > > >1. FOLP card (Enyuan Hu) > > > > > > -- > > > > Message: 1 > > Date: Sat, 24 Nov 2012 08:55:58 -0500 > > From: Enyuan Hu > > To: ifeffit > > Subject: [Ifeffit] FOLP card > > Message-ID: > > < > > cajud35mqx-zvbvpph1zbpitfxauj9qm8tgoqewsh9ycnwaw...@mail.gmail.com> > > Content-Type: text/plain; charset="iso-8859-1" > > > > Dear all, > > > > I'm trying to see the impact of using FOLP card on my simulation results > in > > Feff9. As far as I understand it, FOLP is defining the overlapping of > > muffin-tin radii. The first parameter defines the the position where this > > card will be used (expressed as potential type), right? so should I do > the > > simulation for all potentials, that is going from 0 to the last number in > > my potential list, or I just do it for some specific positions (potential > > types)? thanks. > > > > Enyuan > > -- next part -- > > An HTML attachment was scrubbed... > > URL: < > > > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20121124/5e1e6332/attachment.html > > > > > > > -- > > > > ___ > > Ifeffit mailing list > > Ifeffit@millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > > > > End of Ifeffit Digest, Vol 117, Issue 20 > > > > > -- next part -- > An HTML attachment was scrubbed... > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20121124/ddc7a84f/attachment-0001.htm > > > > -- > > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > End of Ifeffit Digest, Vol 117, Issue 21 > > ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
[Ifeffit] spinel XANES calculation by Feff
Dear all, I was wondering if anyone had experience in calculating XANES spectra using Feff for the spinel system. The material I was trying to investigate was ZnFe2O4. There were reports in literature that gave satisfying simulation results by Feff so I tried to follow. The feature peaks' positions from my simulation is generally right, but the intensity is definitely wrong. So I guess either someone can give me some suggestion about the getting the intensity right or share with me about his or her spinel XANES calculation experience. My background is mainly in chemistry and material science with general ideas about electronic structure. Any comment or suggestion will be greatly appreciated. Thanks! Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Re: [Ifeffit] Ifeffit Digest, Vol 114, Issue 5
Hi Dominik, Thank you so much for your quick response. Indeed, it's really nice fitting according to your result. But my situation seems a little bit different as I'm dealing with the Mn XANES data and there're doublets and sometimes triplets in the pre-edge. Actually, I might as well explain my interest of doing such fitting. I read in the paper *(F Farges, PHYSICAL REVIEW B 71, 155109 (2005))* that the centroid of pre-edge peak is a more accurate measurement of the oxidation state of the element of interest, compared to the more conventional inflection point or half-way method. So I was trying to follow the paper and see if it also works for my samples. Anyway, thanks again for your help! Enyuan On Thu, Aug 9, 2012 at 9:11 AM, wrote: > Send Ifeffit mailing list submissions to > ifeffit@millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-requ...@millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-ow...@millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > >1. Re: question for ifeffit mailing list - ATHENANORMALIZATION > (Marie Zwetsloot) >2. Re: question for ifeffit mailing list - ATHENA NORMALIZATION > (Scott Calvin) >3. pre-edge centroid (Enyuan Hu) >4. Re: pre-edge centroid (Dominik Samuelis) > > > -- > > Message: 1 > Date: Wed, 8 Aug 2012 13:17:59 -0400 > From: Marie Zwetsloot > To: ifeffit@millenia.cars.aps.anl.gov > Subject: Re: [Ifeffit] question for ifeffit mailing list - ATHENA > NORMALIZATION > Message-ID: > 1-w4u3vk7ddnu_cukgpk-1vj3ioor_csvkj4ue...@mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Hi Scott Calvin, > > Thanks for your help. Yes, this is as far as my pre- and post-edge range > go. I realized I should have made them longer; it was my first time doing > this and wasnt aware that i should lengthen my pre and post-edge for later > on analysis. This will be good lesson for the future. > > So you would not recommend doing linear combination fitting? I was planning > on trying it out.. But I wouldnt want to do it if with my pre- and > post-edge range, I am bound to derive wrong conclusions from the data. > > Best, > Marie > -- next part -- > An HTML attachment was scrubbed... > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20120808/819dffdb/attachment-0001.htm > > > > -- > > Message: 2 > Date: Wed, 8 Aug 2012 15:10:16 -0400 > From: Scott Calvin > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] question for ifeffit mailing list - ATHENA > NORMALIZATION > Message-ID: > Content-Type: text/plain; charset="iso-8859-1" > > Hi Marie, > > I think you can try linear combination fitting, but you'll have to build > in the uncertainty in normalization in to your own estimates of uncertainty. > > If you don't check the box that says "force weights to sum to 1," then you > can allow for normalization errors in your sample. > > If your standards also have only short energy ranges, then there's nothing > you can do about that, though. As I said, you'll just have to build them in > to your uncertainty. If you are unsure of the edge jump of a standard to > 20%, then the contribution of that standard to the linear combination fit > is uncertain by 20%. > > Uncertainty in normalization is one of the leading contributions to the > uncertainty that should be associated with linear combination fitting, even > when the energy ranges are sufficient. In a case like yours, they're bigger > than they could have been, but it doesn't mean you can't use linear > combination analysis at all. > > --Scott Calvin > Sarah Lawrence College > > On Aug 8, 2012, at 1:17 PM, Marie Zwetsloot wrote: > > > Hi Scott Calvin, > > > > Thanks for your help. Yes, this is as far as my pre- and post-edge range > go. I realized I should have made them longer; it was my first time doing > this and wasnt aware that i should lengthen my pre and post-edge for later > on analysis. This will be good lesson for the future. > > > > So you would not recommend doing linear combination fitting? I was > planning on trying it out.. But I wo
[Ifeffit] pre-edge centroid
Dear all, I was wondering if anyone could comment on how to get the centroid of pre-edge by fitting the pre-edge peak by pseudo-Voigt functions. I tried to do that in Athena, but it seemed that peaking fitting part is the relatively less developed function in the software. Any comment would be appreciated. Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Re: [Ifeffit] on Tune and Detune
Dear Matthew, Thank you so much for the answer. It's crystal clear :) Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
[Ifeffit] on Tune and Detune
Dear all, I'm new to the community and I was wondering if I can ask some basic questions here. I heard the beamline scientist mention "tune" and "detune" and I saw in some materials say "detune to get rid of high order harmonics", but what is "harmonics"? and why it's necessary to detune to get rid of high order harmonics? I'd really appreciate it if we can discuss this a little bit. Thanks. Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Re: [Ifeffit] first "official" relezse of my new software
So grateful for Bruce's efforts. Your generosity is one of the great joys of doing XAS. best, Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Re: [Ifeffit] problems in installing PGPLOT in UBUNTU
Dear Matt,
I checked the log file but didn't see any error message. I don't know if
it's because I succeeded in installing Athena and Artemis following Carlo's
suggestion and the log file is thereby updated. Here's the content of the
log file:
"#!/bin/sh
# PGPLOT install log
# system = linux == linux g77_gcc
# prefix = /usr/local/
# fortran compiler = gfortran
gzip -dc pgplot5.2.tar.gz | tar xf -
mkdir -p /usr/local//share/ifeffit/pgplot/
# driver.list written to /usr/local//share/ifeffit/pgplot//drivers.list
# starting build
cd /usr/local//share/ifeffit/pgplot//
rm -f grfont.dat pgplot.doc pgxwin_server lib*pgplot* pgdemo*
/home/enyuan/ifeffit-1.2.11d/pgplot/makemake
/home/enyuan/ifeffit-1.2.11d/pgplot linux g77_gcc
# customizing grgil.f for ifeffit
sed 's|/usr/local/pgplot/|/usr/local//share/ifeffit/pgplot/|g'
/home/enyuan/ifeffit-1.2.11d/pgplot/src/grgfil.f >
/home/enyuan/ifeffit-1.2.11d/pgplot/src/grgfil_iff.f
mv makefile Tmp
sed 's|grgfil|grgfil_iff|g' Tmp > makefile
sed 's|libpgplot|libpgplot_iff|g' makefile > Tmp
sed 's|-lpgplot|-lpgplot_iff|g' Tmp > makefile
# customizing xwdriv.c for ifeffit
sed 's|getenv("PGPLOT_DIR")|'"/usr/local//share/ifeffit/pgplot/"'|g'
/home/enyuan/ifeffit-1.2.11d/pgplot/drivers/xwdriv.c >
/home/enyuan/ifeffit-1.2.11d/pgplot/drivers/xwdriv_iff.c
mv makefile Tmp
sed 's|xwdriv|xwdriv_iff|g' Tmp > makefile
# fix png driver
mv makefile Tmp
sed 's|pndriv.o : ./png.h| pndriv.o : ./png.h|g' Tmp > makefile
make FCOMPL= gfortran FFLAGC=-O1 libpgplot_iff.a
make FCOMPL= gfortran grfont.dat prog pgplot.doc pgxwin_server cpg
make clean "
I hope the length is not too bothering and thank you very much for the help!
--
Enyuan
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[Ifeffit] problems in installing PGPLOT in UBUNTU
Dear all, Has anyone met a problem when installing PGPLOT in UBUNTU? I fellowed the prescribed recipe in http://cars9.uchicago.edu/~ifeffit/src/INSTALL but always encounter problem when trying to get PGPLOT installed. The message is like this: "= Uh-oh. PGPLOT is missing some important files! = It looks like PGPLOT failed during building or = is only partially installed. = = Please consult the PGPLOT installation instructions = in the subdirectory pgplot/, and the log file: =/home/enyuan/ifeffit-1.2.11d/PGPLOT_install.log = which contains a full list of commands run. = = You may want to repeat these steps by hand or = consult the PGPLOT installations instructions = in install-unix.txt " I'm a newbie to UBUNTU so I would really appreciate it if the answer can consider my ignorance and be as simple as possible :) BTW, the motivation I'm switching to UBUNTU is the video of doctor Bruce lecturing on vimeo.comwhich were done in the environment of Demeter...juicy!! -- Enyuan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
